SCHEMBL7518549

SCHEMBL7518549

Cc1ccc(O)c(CC=O)c1C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
ATM Q13315 1/20 0.35
MAOA P21397 1/20 0.35
PTGS1 P23219 1/20 0.35
MCL1 Q07820 1/20 0.33
SRD5A1 P18405 1/20 0.33
NQO1 P15559 1/20 0.33
ESR1 P03372 6/20 0.32
ESR2 Q92731 6/20 0.32
MAOB P27338 2/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
SCN5A Q14524 1/20 0.32
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
IMPDH2 P12268 1/20 0.31
AR P10275 1/20 0.31
CSNK2A1 P68400 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4966941 0.84 TRPA1 (0.35) TRPA1MAOAPTGS1ESR1ESR2
SCHEMBL11786591 0.82 CYP3A4 (0.40) MCL1MAOBTDP1CSNK2A1
SCHEMBL13264060 0.81 ESR1 (0.36) TRPA1ESR1ESR2
SCHEMBL16334848 0.81 ERN1 (0.32) MAOAPTGS1MAOBCSNK2A1
SCHEMBL7514297 0.81 SCN5A (0.33) TRPA1ATMMAOAPTGS1NQO1
SCHEMBL6591933 0.80 SRD5A1 (0.47) TRPA1ATMPTGS1SRD5A1ESR1
SCHEMBL7519840 0.79 HIF1A (0.36) TRPA1ATMMAOAPTGS1NQO1
SCHEMBL8827947 0.76 ESR1 (0.43) TRPA1ATMNQO1ESR1ESR2
SCHEMBL5954018 0.76 TRPA1 (0.45) TRPA1ATMTP53
SCHEMBL4878065 0.74 TRPA1 (0.41) TRPA1ATMNQO1ESR1ESR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784528-B1 ABRASIVE ARTICLES WITH ENCAPSULATED LUBRICANT MINNESOTA MINING & MFG (US) 2002-01-30 EP claimed
US-5725617-A Abrasive articles with encapsulated lubricant MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-03-10 US claimed
EP-0784528-A1 ABRASIVE ARTICLES WITH ENCAPSULATED LUBRICANT MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-07-23 EP claimed
WO-1996011085-A1 ABRASIVE ARTICLES WITH ENCAPSULATED LUBRICANT MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-04-18 WO claimed
EP-0784528-B1 ABRASIVE ARTICLES WITH ENCAPSULATED LUBRICANT MINNESOTA MINING & MFG (US) 2002-01-30 EP disclosed
US-5725617-A Abrasive articles with encapsulated lubricant MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-03-10 US disclosed
EP-0784528-A1 ABRASIVE ARTICLES WITH ENCAPSULATED LUBRICANT MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-07-23 EP disclosed
WO-1996011085-A1 ABRASIVE ARTICLES WITH ENCAPSULATED LUBRICANT MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-04-18 WO disclosed